2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol

C32H27N3O2 — CID 164823529

IUPAC2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
SMILESCC(C)(C)c1cc(Oc2cccc(-c3ccccc3O)c2)nc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C32H27N3O2/c1-32(2,3)22-19-29(35-27-15-6-4-13-25(27)26-14-9-17-33-31(26)35)34-30(20-22)37-23-11-8-10-21(18-23)24-12-5-7-16-28(24)36/h4-20,36H,1-3H3
InChIKeyLWDDWKQQOADZJQ-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.04
Rot. Bonds4

About 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol

2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol (PubChem CID 164823529) has the molecular formula C32H27N3O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol.

Molecular Properties

Compound Name2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
PubChem CID164823529
Molecular FormulaC32H27N3O2
Molecular Weight485.59 g/mol
Exact Mass485.21
IUPAC Name2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
SMILESCC(C)(C)c1cc(Oc2cccc(-c3ccccc3O)c2)nc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C32H27N3O2/c1-32(2,3)22-19-29(35-27-15-6-4-13-25(27)26-14-9-17-33-31(26)35)34-30(20-22)37-23-11-8-10-21(18-23)24-12-5-7-16-28(24)36/h4-20,36H,1-3H3
InChIKeyLWDDWKQQOADZJQ-UHFFFAOYSA-N
XLogP8.04
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol with MolForge

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Related Compounds

4-tert-butyl-2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823470
4-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]-8-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-13-ol;platinum
CID 168720964
2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol
CID 164823525
2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol
CID 164823591
2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum
CID 164727776
6-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]-9,9-dimethyl-4,5-dihydro-[1]benzosilolo[2,3-b]pyridine-4,5-diide;platinum(2+)
CID 168721010
9-[3-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]phenyl]pyrido[2,3-b]indole
CID 155650771
9-[3-[(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]arsindolo[2,3-b]pyridine 9-oxide
CID 140680742
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylpyrido[2,3-b]indol-6-yl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 168803373
3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile
CID 121312443

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol?
The IUPAC name of 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol (CID 164823529) is 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol.
What is the SMILES notation for 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol?
The canonical SMILES for 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol is CC(C)(C)c1cc(Oc2cccc(-c3ccccc3O)c2)nc(-n2c3ccccc3c3cccnc32)c1.
What is the InChIKey of 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol?
The InChIKey is LWDDWKQQOADZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O2/c1-32(2,3)22-19-29(35-27-15-6-4-13-25(27)26-14-9-17-33-31(26)35)34-30(20-22)37-23-11-8-10-21(18-23)24-12-5-7-16-28(24)36/h4-20,36H,1-3H3.
What are the key properties of 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol?
2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol has a molecular weight of 485.59 g/mol, XLogP of 8.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol is sourced from PubChem (CID 164823529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).